(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2008). E64, i1 [ doi:10.1107/S1600536807062368 ]

Redetermination of dicerium(III) tris(sulfate) tetrahydrate

X. Xu

Online 6 December 2007

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (Ce-O) = 0.003 Å
R factor = 0.027
wR factor = 0.067
Data-to-parameter ratio = 10.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.90      
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          8      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.903
            Tmax scaled      0.466 Tmin scaled      0.394
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         16      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   4 ALERT level G = General alerts; check

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check